3-Methylhept-4-yn-3-ol

Base Information

• Chemical Name: 3-Methylhept-4-yn-3-ol
• CAS No.: 71065-39-9
• Molecular Formula: C8H14O
• Molecular Weight: 126.2
• DSSTox Substance ID: DTXSID40499217
• Mol file: 71065-39-9.mol

Synonyms:3-Methylhept-4-yn-3-ol;3-METHYL-4-HEPTYN-3-OL;71065-39-9;SCHEMBL3108062;DTXSID40499217;MFCD00046584;AKOS006272920;CS-0359912;FT-0641327;J-512906

Chemical Property of 3-Methylhept-4-yn-3-ol

Chemical Property:

• Vapor Pressure: 1.26mmHg at 25°C
• Melting Point: -39°C (estimate)
• Refractive Index: 1.458
• Boiling Point: 153.1°C at 760 mmHg
• Flash Point: 52.1°C
• PSA: 20.23000
• Density: 0.892g/cm³
• LogP: 1.56080
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 137

Purity/Quality:

95% ^*data from raw suppliers

3-Methylhept-4-yn-3-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC#CC(C)(CC)O

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